YAO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.49Å | |
| C7 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.36Å | |
| C6 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.54Å | 1.50Å | |
| C9 | N1 | sing | 1.49Å | 1.41Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C10 | C11 | sing | 1.54Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.32Å | |
| C5 | C4 | doub | 1.39Å | 1.35Å | Aromatic |
| N1 | C25 | sing | 1.48Å | 1.44Å | |
| O3 | C26 | doub | 1.21Å | 1.20Å | |
| C11 | C25 | sing | 1.54Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | N5 | sing | 1.40Å | 1.39Å | |
| C25 | C26 | sing | 1.50Å | 1.48Å | |
| C25 | C28 | sing | 1.50Å | 1.48Å | |
| C26 | N3 | sing | 1.34Å | 1.30Å | |
| C12 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| N5 | C28 | sing | 1.36Å | 1.32Å | |
| N5 | C29 | sing | 1.46Å | 1.47Å | |
| C28 | N4 | doub | 1.31Å | 1.27Å | |
| N3 | C27 | sing | 1.34Å | 1.34Å | |
| C16 | N2 | sing | 1.40Å | 1.41Å | |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
| N2 | C17 | sing | 1.35Å | 1.34Å | |
| O5 | C30 | sing | 1.43Å | 1.33Å | |
| C29 | C30 | sing | 1.53Å | 1.49Å | |
| N4 | C27 | sing | 1.34Å | 1.28Å | |
| C27 | O4 | doub | 1.22Å | 1.19Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.48Å | |
| C17 | O2 | doub | 1.22Å | 1.22Å | |
| C18 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| O16 | C42 | sing | 1.43Å | 1.39Å | |
| C21 | C22 | doub | 1.38Å | 1.36Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | O6 | sing | 1.43Å | 1.34Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| O7 | C32 | sing | 1.43Å | 1.41Å | |
| C42 | C43 | sing | 1.55Å | 1.51Å | |
| C42 | C36 | sing | 1.55Å | 1.50Å | |
| O13 | P2 | doub | 1.48Å | 1.45Å | |
| C37 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C37 | N6 | sing | 1.36Å | 1.29Å | Aromatic |
| C43 | O17 | sing | 1.43Å | 1.42Å | |
| C43 | C35 | sing | 1.54Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.50Å | |
| N7 | C38 | sing | 1.36Å | 1.37Å | Aromatic |
| O12 | P2 | sing | 1.61Å | 1.44Å | |
| C33 | O8 | sing | 1.43Å | 1.42Å | |
| P2 | O14 | sing | 1.61Å | 1.54Å | |
| P2 | O11 | sing | 1.61Å | 1.53Å | |
| N6 | C36 | sing | 1.46Å | 1.37Å | |
| N6 | C41 | sing | 1.37Å | 1.35Å | Aromatic |
| C36 | O15 | sing | 1.44Å | 1.38Å | |
| C38 | C41 | doub | 1.41Å | 1.35Å | Aromatic |
| C38 | C39 | sing | 1.41Å | 1.39Å | Aromatic |
| N8 | C39 | sing | 1.38Å | 1.32Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C34 | O14 | sing | 1.43Å | 1.41Å | |
| C41 | N10 | sing | 1.33Å | 1.33Å | Aromatic |
| C39 | N9 | doub | 1.33Å | 1.33Å | Aromatic |
| C35 | O15 | sing | 1.44Å | 1.44Å | |
| O11 | P1 | sing | 1.61Å | 1.53Å | |
| O8 | P1 | sing | 1.61Å | 1.55Å | |
| N10 | C40 | doub | 1.32Å | 1.31Å | Aromatic |
| N9 | C40 | sing | 1.32Å | 1.32Å | Aromatic |
| P1 | O10 | doub | 1.48Å | 1.44Å | |
| P1 | O9 | sing | 1.61Å | 1.44Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | H37 | sing | 1.08Å | 1.08Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| N8 | H41 | sing | 0.97Å | 1.00Å | |
| N8 | H42 | sing | 0.97Å | 1.00Å | |
| O1 | H43 | sing | 0.97Å | 0.95Å | |
| O12 | H44 | sing | 0.97Å | 0.95Å | |
| O16 | H45 | sing | 0.97Å | 0.95Å | |
| O17 | H46 | sing | 0.97Å | 0.95Å | |
| O5 | H47 | sing | 0.97Å | 0.95Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| O7 | H49 | sing | 0.97Å | 0.95Å | |
| O9 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 121.2° | 119.9° |
| C8 | C7 | C2 | 119.8° | 119.8° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C6 | C7 | C2 | 119.0° | 120.3° |
| C7 | C6 | C5 | 119.6° | 120.2° |
| C7 | C6 | H2 | 120.2° | 119.9° |
| C7 | C2 | C1 | 118.5° | 120.0° |
| C7 | C2 | C3 | 120.2° | 120.0° |
| O1 | C9 | C10 | 111.7° | 110.5° |
| O1 | C9 | N1 | 105.4° | 110.5° |
| O1 | C9 | H7 | 113.4° | 110.5° |
| C9 | O1 | H43 | 109.5° | 114.0° |
| C6 | C5 | N1 | 115.8° | 118.5° |
| C6 | C5 | C4 | 121.8° | 119.4° |
| C5 | C6 | H2 | 120.2° | 119.9° |
| C10 | C9 | N1 | 102.0° | 104.2° |
| C9 | C10 | C11 | 96.4° | 105.0° |
| C10 | C9 | H7 | 111.1° | 110.6° |
| C9 | C10 | H8 | 112.6° | 110.3° |
| C9 | C10 | H9 | 112.7° | 110.4° |
| C9 | N1 | C5 | 112.5° | 107.8° |
| C9 | N1 | C25 | 109.6° | 103.5° |
| N1 | C9 | H7 | 112.5° | 110.5° |
| C1 | C2 | C3 | 121.3° | 120.0° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.4° | 109.5° |
| C2 | C1 | H16 | 109.4° | 109.4° |
| C10 | C11 | C25 | 104.0° | 104.5° |
| C10 | C11 | C12 | 116.2° | 110.5° |
| C10 | C11 | H3 | 103.0° | 110.5° |
| C11 | C10 | H8 | 112.6° | 110.3° |
| C11 | C10 | H9 | 112.6° | 110.4° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | H12 | 120.1° | 120.0° |
| N1 | C5 | C4 | 122.3° | 122.1° |
| C5 | N1 | C25 | 121.3° | 112.0° |
| C5 | C4 | C3 | 119.5° | 120.1° |
| C5 | C4 | N5 | 119.5° | 120.5° |
| N1 | C25 | C11 | 101.8° | 104.7° |
| N1 | C25 | C26 | 108.0° | 110.3° |
| N1 | C25 | C28 | 112.0° | 111.6° |
| O3 | C26 | C25 | 121.3° | 119.7° |
| O3 | C26 | N3 | 121.6° | 119.6° |
| C25 | C11 | C12 | 124.8° | 110.4° |
| C11 | C25 | C26 | 95.4° | 108.6° |
| C11 | C25 | C28 | 130.6° | 110.4° |
| C25 | C11 | H3 | 102.8° | 110.4° |
| C11 | C12 | C24 | 121.3° | 120.0° |
| C11 | C12 | C13 | 118.3° | 120.0° |
| C12 | C11 | H3 | 103.1° | 110.4° |
| C3 | C4 | N5 | 121.0° | 119.5° |
| C4 | C3 | H12 | 120.1° | 120.0° |
| C4 | N5 | C28 | 120.3° | 118.3° |
| C4 | N5 | C29 | 119.0° | 120.8° |
| C26 | C25 | C28 | 106.5° | 110.9° |
| C25 | C26 | N3 | 116.8° | 120.6° |
| C25 | C28 | N5 | 120.6° | 119.2° |
| C25 | C28 | N4 | 121.9° | 121.5° |
| C26 | N3 | C27 | 120.1° | 121.1° |
| C26 | N3 | H13 | 119.9° | 119.4° |
| C24 | C12 | C13 | 120.2° | 120.1° |
| C12 | C24 | C16 | 119.8° | 119.9° |
| C12 | C24 | H23 | 120.1° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.1° |
| C12 | C13 | H10 | 120.1° | 119.9° |
| C24 | C16 | N2 | 121.1° | 120.1° |
| C24 | C16 | C15 | 119.5° | 119.9° |
| C16 | C24 | H23 | 120.1° | 120.1° |
| C13 | C14 | C15 | 120.2° | 120.1° |
| C13 | C14 | H1 | 119.9° | 119.9° |
| C14 | C13 | H10 | 120.1° | 120.0° |
| C28 | N5 | C29 | 120.7° | 120.9° |
| N5 | C28 | N4 | 117.4° | 119.2° |
| N5 | C29 | C30 | 115.8° | 109.4° |
| N5 | C29 | H25 | 107.9° | 109.5° |
| N5 | C29 | H26 | 107.9° | 109.5° |
| C28 | N4 | C27 | 118.4° | 122.2° |
| N3 | C27 | N4 | 123.8° | 121.8° |
| N3 | C27 | O4 | 118.0° | 119.1° |
| C27 | N3 | H13 | 119.9° | 119.4° |
| N2 | C16 | C15 | 119.4° | 120.1° |
| C16 | N2 | C17 | 126.8° | 120.0° |
| C16 | N2 | H11 | 116.6° | 120.0° |
| C16 | C15 | C14 | 120.4° | 119.9° |
| C16 | C15 | H17 | 119.8° | 120.1° |
| C15 | C14 | H1 | 119.9° | 120.0° |
| C14 | C15 | H17 | 119.8° | 120.0° |
| N2 | C17 | C18 | 117.4° | 119.9° |
| N2 | C17 | O2 | 123.3° | 120.0° |
| C17 | N2 | H11 | 116.6° | 120.0° |
| O5 | C30 | C29 | 103.3° | 109.5° |
| O5 | C30 | C31 | 104.7° | 109.5° |
| O5 | C30 | H27 | 113.8° | 109.5° |
| C30 | O5 | H47 | 109.5° | 114.0° |
| C29 | C30 | C31 | 112.7° | 109.5° |
| C30 | C29 | H25 | 107.9° | 109.4° |
| C30 | C29 | H26 | 107.9° | 109.5° |
| C29 | C30 | H27 | 111.2° | 109.5° |
| N4 | C27 | O4 | 118.1° | 119.1° |
| C20 | C19 | C18 | 120.1° | 119.8° |
| C19 | C20 | C21 | 120.7° | 120.1° |
| C20 | C19 | H18 | 119.9° | 120.1° |
| C19 | C20 | H19 | 119.7° | 119.9° |
| C19 | C18 | C17 | 124.1° | 120.2° |
| C19 | C18 | C23 | 118.8° | 119.7° |
| C18 | C19 | H18 | 120.0° | 120.1° |
| C20 | C21 | C22 | 119.7° | 120.3° |
| C21 | C20 | H19 | 119.7° | 119.9° |
| C20 | C21 | H20 | 120.2° | 119.8° |
| C18 | C17 | O2 | 119.3° | 120.0° |
| C17 | C18 | C23 | 117.1° | 120.1° |
| C18 | C23 | C22 | 120.5° | 119.9° |
| C18 | C23 | H22 | 119.7° | 120.1° |
| C30 | C31 | O6 | 107.5° | 109.5° |
| C30 | C31 | C32 | 113.6° | 109.5° |
| C31 | C30 | H27 | 110.7° | 109.5° |
| C30 | C31 | H28 | 110.2° | 109.5° |
| O16 | C42 | C43 | 111.0° | 110.9° |
| O16 | C42 | C36 | 114.0° | 110.9° |
| O16 | C42 | H38 | 112.7° | 110.8° |
| C42 | O16 | H45 | 109.5° | 114.0° |
| C21 | C22 | C23 | 120.3° | 120.1° |
| C22 | C21 | H20 | 120.2° | 119.8° |
| C21 | C22 | H21 | 119.8° | 119.9° |
| C23 | C22 | H21 | 119.9° | 119.9° |
| C22 | C23 | H22 | 119.8° | 120.1° |
| O6 | C31 | C32 | 101.8° | 109.4° |
| O6 | C31 | H28 | 113.0° | 109.5° |
| C31 | O6 | H48 | 109.5° | 114.0° |
| C31 | C32 | O7 | 104.3° | 109.5° |
| C31 | C32 | C33 | 111.3° | 109.4° |
| C32 | C31 | H28 | 110.4° | 109.4° |
| C31 | C32 | H29 | 109.6° | 109.5° |
| O7 | C32 | C33 | 111.0° | 109.5° |
| O7 | C32 | H29 | 110.9° | 109.5° |
| C32 | O7 | H49 | 109.5° | 113.9° |
| C43 | C42 | C36 | 96.0° | 102.2° |
| C42 | C43 | O17 | 104.9° | 110.5° |
| C42 | C43 | C35 | 99.0° | 104.2° |
| C43 | C42 | H38 | 110.9° | 110.9° |
| C42 | C43 | H39 | 111.8° | 110.5° |
| C42 | C36 | N6 | 114.3° | 110.8° |
| C42 | C36 | O15 | 100.3° | 103.5° |
| C42 | C36 | H35 | 109.8° | 110.6° |
| C36 | C42 | H38 | 111.0° | 110.9° |
| O13 | P2 | O12 | 120.3° | 109.5° |
| O13 | P2 | O14 | 108.1° | 109.5° |
| O13 | P2 | O11 | 107.8° | 109.4° |
| N7 | C37 | N6 | 113.8° | 110.0° |
| C37 | N7 | C38 | 103.8° | 109.4° |
| N7 | C37 | H36 | 123.1° | 125.0° |
| C37 | N6 | C36 | 126.9° | 126.3° |
| C37 | N6 | C41 | 107.3° | 107.4° |
| N6 | C37 | H36 | 123.1° | 125.0° |
| O17 | C43 | C35 | 115.2° | 110.5° |
| O17 | C43 | H39 | 113.3° | 110.6° |
| C43 | O17 | H46 | 109.5° | 114.0° |
| C43 | C35 | C34 | 115.7° | 109.9° |
| C43 | C35 | O15 | 104.0° | 107.3° |
| C43 | C35 | H34 | 110.0° | 110.0° |
| C35 | C43 | H39 | 111.5° | 110.5° |
| C32 | C33 | O8 | 114.3° | 109.5° |
| C33 | C32 | H29 | 109.6° | 109.5° |
| C32 | C33 | H30 | 108.3° | 109.5° |
| C32 | C33 | H31 | 108.3° | 109.5° |
| N7 | C38 | C41 | 109.6° | 107.1° |
| N7 | C38 | C39 | 133.4° | 134.7° |
| O12 | P2 | O14 | 108.9° | 109.5° |
| O12 | P2 | O11 | 102.4° | 109.5° |
| P2 | O12 | H44 | 109.5° | 114.0° |
| C33 | O8 | P1 | 119.5° | 123.0° |
| O8 | C33 | H30 | 108.3° | 109.4° |
| O8 | C33 | H31 | 108.3° | 109.5° |
| O14 | P2 | O11 | 108.9° | 109.4° |
| P2 | O14 | C34 | 115.0° | 123.0° |
| P2 | O11 | P1 | 118.1° | 134.0° |
| C36 | N6 | C41 | 125.6° | 126.3° |
| N6 | C36 | O15 | 108.6° | 110.6° |
| N6 | C36 | H35 | 111.8° | 110.6° |
| N6 | C41 | C38 | 105.5° | 106.0° |
| N6 | C41 | N10 | 127.4° | 134.9° |
| C36 | O15 | C35 | 107.4° | 107.0° |
| O15 | C36 | H35 | 111.5° | 110.5° |
| C41 | C38 | C39 | 117.0° | 118.2° |
| C38 | C41 | N10 | 127.0° | 119.0° |
| C38 | C39 | N8 | 123.8° | 120.7° |
| C38 | C39 | N9 | 117.8° | 118.5° |
| N8 | C39 | N9 | 118.5° | 120.8° |
| C39 | N8 | H41 | 109.5° | 120.0° |
| C39 | N8 | H42 | 109.5° | 120.0° |
| C35 | C34 | O14 | 111.3° | 109.5° |
| C34 | C35 | O15 | 105.2° | 109.9° |
| C35 | C34 | H32 | 109.0° | 109.5° |
| C35 | C34 | H33 | 109.0° | 109.5° |
| C34 | C35 | H34 | 110.4° | 109.8° |
| O14 | C34 | H32 | 109.0° | 109.5° |
| O14 | C34 | H33 | 109.0° | 109.4° |
| C41 | N10 | C40 | 110.9° | 120.6° |
| C39 | N9 | C40 | 118.5° | 121.2° |
| O15 | C35 | H34 | 111.3° | 109.9° |
| O11 | P1 | O8 | 107.8° | 109.5° |
| O11 | P1 | O10 | 104.6° | 109.5° |
| O11 | P1 | O9 | 107.8° | 109.5° |
| O8 | P1 | O10 | 101.0° | 109.4° |
| O8 | P1 | O9 | 114.1° | 109.5° |
| N10 | C40 | N9 | 128.8° | 122.5° |
| N10 | C40 | H37 | 115.6° | 118.7° |
| N9 | C40 | H37 | 115.6° | 118.8° |
| O10 | P1 | O9 | 120.6° | 109.5° |
| P1 | O9 | H50 | 109.5° | 113.9° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H4 | C8 | H6 | 109.4° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 110.4° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H25 | C29 | H26 | 109.4° | 109.5° |
| H30 | C33 | H31 | 109.4° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.4° |
| H41 | N8 | H42 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | C2 | 179.7° | 179.9° |
| C8 | C7 | C6 | C5 | 178.6° | 180.0° |
| C8 | C7 | C2 | C1 | 0.1° | 0.0° |
| C8 | C7 | C2 | C3 | 180.0° | 179.7° |
| C8 | C7 | C6 | H2 | 1.4° | 0.0° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C7 | C8 | H4 | H6 | 120.0° | 120.0° |
| C7 | C8 | H5 | H6 | 120.0° | 120.0° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 179.6° | 180.0° |
| C6 | C7 | C2 | C3 | 0.3° | 0.3° |
| C7 | C6 | C5 | N1 | 178.9° | 179.8° |
| C7 | C6 | C5 | C4 | 2.5° | 0.1° |
| C6 | C7 | C8 | H4 | 90.1° | 90.0° |
| C6 | C7 | C8 | H5 | 149.9° | 150.0° |
| C6 | C7 | C8 | H6 | 29.8° | 30.0° |
| C2 | C7 | C6 | C5 | 1.2° | 0.0° |
| C7 | C2 | C1 | C3 | 179.9° | 179.7° |
| C7 | C2 | C3 | C4 | 0.4° | 0.5° |
| C2 | C7 | C6 | H2 | 178.8° | 179.9° |
| C2 | C7 | C8 | H4 | 90.1° | 89.9° |
| C2 | C7 | C8 | H5 | 29.9° | 30.1° |
| C2 | C7 | C8 | H6 | 149.9° | 150.1° |
| C7 | C2 | C3 | H12 | 179.6° | 179.7° |
| C7 | C2 | C1 | H14 | 90.0° | 90.1° |
| C7 | C2 | C1 | H15 | 149.9° | 149.9° |
| C7 | C2 | C1 | H16 | 30.0° | 30.0° |
| O1 | C9 | C10 | N1 | 112.1° | 118.6° |
| O1 | C9 | C10 | H7 | 127.8° | 122.7° |
| O1 | C9 | N1 | H7 | 124.0° | 122.6° |
| O1 | C9 | C10 | C11 | 62.8° | 94.3° |
| O1 | C9 | N1 | C5 | 143.1° | 163.7° |
| O1 | C9 | N1 | C25 | 78.8° | 77.6° |
| O1 | C9 | C10 | H8 | 55.0° | 146.9° |
| O1 | C9 | C10 | H9 | 179.4° | 24.6° |
| C6 | C5 | N1 | C9 | 42.0° | 39.2° |
| C6 | C5 | N1 | C4 | 176.3° | 179.9° |
| C6 | C5 | N1 | C25 | 174.5° | 152.4° |
| C6 | C5 | C4 | C3 | 2.4° | 0.1° |
| C6 | C5 | C4 | N5 | 178.3° | 179.8° |
| C10 | C9 | N1 | H7 | 119.2° | 118.7° |
| C9 | C10 | C11 | H8 | 117.8° | 118.8° |
| C9 | C10 | C11 | H9 | 117.8° | 118.9° |
| C10 | C9 | N1 | C5 | 100.1° | 77.7° |
| C10 | C9 | N1 | C25 | 38.0° | 41.1° |
| C9 | C10 | C11 | C25 | 44.0° | 0.6° |
| C9 | C10 | C11 | C12 | 174.9° | 118.2° |
| C9 | C10 | C11 | H3 | 63.0° | 119.3° |
| C9 | C10 | H8 | H9 | 126.1° | 122.3° |
| C10 | C9 | O1 | H43 | 87.7° | 61.4° |
| N1 | C9 | C10 | C11 | 49.3° | 24.4° |
| C9 | N1 | C5 | C25 | 132.5° | 113.1° |
| C9 | N1 | C5 | C4 | 141.7° | 140.9° |
| C9 | N1 | C25 | C11 | 9.0° | 41.6° |
| C9 | N1 | C25 | C26 | 90.8° | 75.1° |
| C9 | N1 | C25 | C28 | 152.3° | 161.1° |
| N1 | C9 | C10 | H8 | 167.1° | 94.4° |
| N1 | C9 | C10 | H9 | 68.5° | 143.3° |
| N1 | C9 | O1 | H43 | 22.3° | 176.1° |
| C1 | C2 | C3 | C4 | 179.5° | 179.8° |
| C1 | C2 | C3 | H12 | 0.5° | 0.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 119.9° |
| C10 | C11 | C25 | N1 | 23.2° | 25.7° |
| C10 | C11 | C25 | C12 | 136.6° | 118.8° |
| C10 | C11 | C25 | H3 | 107.1° | 118.8° |
| C10 | C11 | C12 | H3 | 111.8° | 122.5° |
| C10 | C11 | C25 | C26 | 132.9° | 92.2° |
| C10 | C11 | C25 | C28 | 109.9° | 145.9° |
| C10 | C11 | C12 | C24 | 39.2° | 159.7° |
| C10 | C11 | C12 | C13 | 137.4° | 21.1° |
| C11 | C10 | C9 | H7 | 169.4° | 143.1° |
| C11 | C10 | H8 | H9 | 126.1° | 122.2° |
| C2 | C3 | C4 | C5 | 0.9° | 0.4° |
| C2 | C3 | C4 | H12 | 180.0° | 179.8° |
| C2 | C3 | C4 | N5 | 179.8° | 179.9° |
| C3 | C2 | C1 | H14 | 90.0° | 90.2° |
| C3 | C2 | C1 | H15 | 30.0° | 29.8° |
| C3 | C2 | C1 | H16 | 150.0° | 149.7° |
| C5 | N1 | C25 | C11 | 124.7° | 74.2° |
| N1 | C5 | C4 | C3 | 178.5° | 180.0° |
| N1 | C5 | C4 | N5 | 2.2° | 0.3° |
| C5 | N1 | C25 | C26 | 135.5° | 169.1° |
| C5 | N1 | C25 | C28 | 18.6° | 45.3° |
| N1 | C5 | C6 | H2 | 1.1° | 0.1° |
| C5 | N1 | C9 | H7 | 19.1° | 41.1° |
| C4 | C5 | N1 | C25 | 9.1° | 27.7° |
| C5 | C4 | C3 | N5 | 179.3° | 179.7° |
| C5 | C4 | N5 | C28 | 7.3° | 7.6° |
| C5 | C4 | N5 | C29 | 171.8° | 172.5° |
| C4 | C5 | C6 | H2 | 177.4° | 179.9° |
| C5 | C4 | C3 | H12 | 179.1° | 179.8° |
| N1 | C25 | C26 | O3 | 27.3° | 43.8° |
| N1 | C25 | C11 | C26 | 109.7° | 117.9° |
| N1 | C25 | C11 | C28 | 133.1° | 120.2° |
| N1 | C25 | C11 | C12 | 159.9° | 93.1° |
| N1 | C25 | C26 | C28 | 120.4° | 124.2° |
| N1 | C25 | C26 | N3 | 158.2° | 136.2° |
| N1 | C25 | C28 | N5 | 23.5° | 40.4° |
| N1 | C25 | C28 | N4 | 154.2° | 136.8° |
| N1 | C25 | C11 | H3 | 83.9° | 144.5° |
| C25 | N1 | C9 | H7 | 157.1° | 159.8° |
| O3 | C26 | C25 | C11 | 77.0° | 70.4° |
| O3 | C26 | C25 | N3 | 174.5° | 180.0° |
| O3 | C26 | C25 | C28 | 147.7° | 168.0° |
| O3 | C26 | N3 | C27 | 163.3° | 177.5° |
| O3 | C26 | N3 | H13 | 16.7° | 2.4° |
| C25 | C11 | C12 | H3 | 116.1° | 122.3° |
| C11 | C25 | C26 | C28 | 135.2° | 121.6° |
| C11 | C25 | C26 | N3 | 97.5° | 109.6° |
| C25 | C11 | C12 | C24 | 92.8° | 85.1° |
| C25 | C11 | C12 | C13 | 90.5° | 94.1° |
| C11 | C25 | C28 | N5 | 106.0° | 75.6° |
| C11 | C25 | C28 | N4 | 76.2° | 107.2° |
| C25 | C11 | C10 | H8 | 161.8° | 119.4° |
| C25 | C11 | C10 | H9 | 73.8° | 118.4° |
| C12 | C11 | C25 | C26 | 90.5° | 149.0° |
| C12 | C11 | C25 | C28 | 26.8° | 27.1° |
| C11 | C12 | C24 | C13 | 176.6° | 179.2° |
| C11 | C12 | C24 | C16 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 179.2° | 179.7° |
| C12 | C11 | C10 | H8 | 57.2° | 0.6° |
| C12 | C11 | C10 | H9 | 67.3° | 122.9° |
| C11 | C12 | C13 | H10 | 0.8° | 0.2° |
| C11 | C12 | C24 | H23 | 0.1° | 0.9° |
| C3 | C4 | N5 | C28 | 173.4° | 172.1° |
| C3 | C4 | N5 | C29 | 7.5° | 7.8° |
| C4 | N5 | C28 | C25 | 18.7° | 13.6° |
| C4 | N5 | C28 | C29 | 179.0° | 179.9° |
| C4 | N5 | C28 | N4 | 159.1° | 163.8° |
| C4 | N5 | C29 | C30 | 88.7° | 90.0° |
| N5 | C4 | C3 | H12 | 0.2° | 0.1° |
| C4 | N5 | C29 | H25 | 150.4° | 29.9° |
| C4 | N5 | C29 | H26 | 32.2° | 150.0° |
| C26 | C25 | C28 | N5 | 141.4° | 163.9° |
| C26 | C25 | C28 | N4 | 36.4° | 13.3° |
| C25 | C26 | N3 | C27 | 22.2° | 2.6° |
| C26 | C25 | C11 | H3 | 25.8° | 26.6° |
| C25 | C26 | N3 | H13 | 157.8° | 177.6° |
| C28 | C25 | C26 | N3 | 37.7° | 12.0° |
| C25 | C28 | N5 | N4 | 177.9° | 177.3° |
| C25 | C28 | N5 | C29 | 160.3° | 166.3° |
| C25 | C28 | N4 | C27 | 16.5° | 5.0° |
| C28 | C25 | C11 | H3 | 143.0° | 95.3° |
| C26 | N3 | C27 | H13 | 180.0° | 179.9° |
| C26 | N3 | C27 | N4 | 2.0° | 7.5° |
| C26 | N3 | C27 | O4 | 179.8° | 172.5° |
| C12 | C24 | C16 | H23 | 180.0° | 179.2° |
| C24 | C12 | C13 | C14 | 2.6° | 0.5° |
| C12 | C24 | C16 | N2 | 179.5° | 179.4° |
| C12 | C24 | C16 | C15 | 2.1° | 0.6° |
| C24 | C12 | C11 | H3 | 151.1° | 37.2° |
| C24 | C12 | C13 | H10 | 177.4° | 179.4° |
| C13 | C12 | C24 | C16 | 3.3° | 0.8° |
| C12 | C13 | C14 | H10 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.6° | 0.1° |
| C12 | C13 | C14 | H1 | 179.4° | 179.8° |
| C13 | C12 | C11 | H3 | 25.5° | 143.6° |
| C13 | C12 | C24 | H23 | 176.7° | 180.0° |
| C24 | C16 | N2 | C15 | 178.4° | 180.0° |
| C24 | C16 | C15 | C14 | 0.1° | 0.0° |
| C24 | C16 | N2 | C17 | 177.0° | 34.8° |
| C24 | C16 | N2 | H11 | 3.1° | 145.2° |
| C24 | C16 | C15 | H17 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.3° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | H17 | 179.4° | 179.7° |
| C28 | N5 | C29 | C30 | 92.2° | 90.1° |
| N5 | C28 | N4 | C27 | 161.3° | 172.2° |
| C28 | N5 | C29 | H25 | 28.7° | 150.0° |
| C28 | N5 | C29 | H26 | 146.8° | 29.9° |
| C29 | N5 | C28 | N4 | 21.8° | 16.4° |
| N5 | C29 | C30 | O5 | 52.2° | 60.0° |
| N5 | C29 | C30 | H25 | 120.9° | 120.0° |
| N5 | C29 | C30 | H26 | 121.0° | 120.0° |
| N5 | C29 | C30 | C31 | 164.6° | 180.0° |
| N5 | C29 | H25 | H26 | 117.1° | 120.1° |
| N5 | C29 | C30 | H27 | 70.3° | 60.0° |
| C28 | N4 | C27 | N3 | 5.4° | 6.3° |
| C28 | N4 | C27 | O4 | 176.4° | 173.7° |
| N3 | C27 | N4 | O4 | 178.2° | 180.0° |
| N2 | C16 | C15 | C14 | 178.5° | 180.0° |
| C16 | N2 | C17 | H11 | 180.0° | 180.0° |
| C16 | N2 | C17 | C18 | 177.5° | 174.6° |
| C16 | N2 | C17 | O2 | 5.5° | 5.3° |
| N2 | C16 | C15 | H17 | 1.5° | 0.0° |
| N2 | C16 | C24 | H23 | 0.5° | 0.3° |
| C16 | C15 | C14 | H17 | 180.0° | 180.0° |
| C15 | C16 | N2 | C17 | 4.6° | 145.2° |
| C16 | C15 | C14 | H1 | 179.4° | 180.0° |
| C15 | C16 | N2 | H11 | 175.3° | 34.8° |
| C15 | C16 | C24 | H23 | 177.9° | 179.7° |
| C15 | C14 | C13 | H10 | 179.4° | 179.9° |
| N2 | C17 | C18 | C19 | 10.5° | 0.2° |
| N2 | C17 | C18 | O2 | 177.1° | 180.0° |
| N2 | C17 | C18 | C23 | 170.2° | 180.0° |
| O5 | C30 | C29 | C31 | 112.4° | 120.0° |
| O5 | C30 | C29 | H27 | 122.5° | 120.0° |
| O5 | C30 | C31 | H27 | 123.1° | 120.0° |
| O5 | C30 | C31 | O6 | 170.1° | 180.0° |
| O5 | C30 | C31 | C32 | 78.1° | 60.0° |
| O5 | C30 | C29 | H25 | 173.1° | 60.0° |
| O5 | C30 | C29 | H26 | 68.8° | 180.0° |
| O5 | C30 | C31 | H28 | 46.4° | 60.0° |
| C29 | C30 | C31 | H27 | 125.3° | 120.0° |
| C29 | C30 | C31 | O6 | 58.4° | 60.0° |
| C29 | C30 | C31 | C32 | 170.2° | 180.0° |
| C30 | C29 | H25 | H26 | 117.1° | 120.0° |
| C29 | C30 | C31 | H28 | 65.2° | 60.1° |
| C29 | C30 | O5 | H47 | 180.0° | 60.0° |
| N4 | C27 | N3 | H13 | 178.0° | 172.4° |
| O4 | C27 | N3 | H13 | 0.2° | 7.6° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C19 | C20 | C21 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 178.6° | 180.0° |
| C20 | C19 | C18 | C23 | 0.6° | 0.2° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C19 | C20 | C21 | H20 | 179.4° | 180.0° |
| C18 | C19 | C20 | C21 | 0.8° | 0.0° |
| C19 | C18 | C17 | C23 | 179.3° | 179.8° |
| C19 | C18 | C17 | O2 | 166.6° | 179.7° |
| C19 | C18 | C23 | C22 | 0.2° | 0.5° |
| C18 | C19 | C20 | H19 | 179.2° | 180.0° |
| C19 | C18 | C23 | H22 | 179.9° | 179.7° |
| C20 | C21 | C22 | H20 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.3° |
| C21 | C20 | C19 | H18 | 179.2° | 180.0° |
| C20 | C21 | C22 | H21 | 179.9° | 180.0° |
| C17 | C18 | C23 | C22 | 179.1° | 179.7° |
| C18 | C17 | N2 | H11 | 2.5° | 5.4° |
| C17 | C18 | C19 | H18 | 1.4° | 0.0° |
| C17 | C18 | C23 | H22 | 0.8° | 0.1° |
| O2 | C17 | C18 | C23 | 12.6° | 0.1° |
| O2 | C17 | N2 | H11 | 174.5° | 174.6° |
| C18 | C23 | C22 | C21 | 0.1° | 0.6° |
| C18 | C23 | C22 | H22 | 180.0° | 179.8° |
| C23 | C18 | C19 | H18 | 179.4° | 179.8° |
| C18 | C23 | C22 | H21 | 179.9° | 179.7° |
| C30 | C31 | O6 | C32 | 119.7° | 120.0° |
| C30 | C31 | O6 | H28 | 121.9° | 120.1° |
| C30 | C31 | C32 | H28 | 124.5° | 120.0° |
| C30 | C31 | C32 | O7 | 39.1° | 60.0° |
| C30 | C31 | C32 | C33 | 158.9° | 180.0° |
| C31 | C30 | C29 | H25 | 74.4° | 60.0° |
| C31 | C30 | C29 | H26 | 43.7° | 60.0° |
| C30 | C31 | C32 | H29 | 79.7° | 60.0° |
| C31 | C30 | O5 | H47 | 61.8° | 60.0° |
| C30 | C31 | O6 | H48 | 180.0° | 59.9° |
| O16 | C42 | C43 | C36 | 118.6° | 118.2° |
| O16 | C42 | C43 | H38 | 126.2° | 123.6° |
| O16 | C42 | C36 | H38 | 128.6° | 123.5° |
| O16 | C42 | C43 | O17 | 48.2° | 20.5° |
| O16 | C42 | C43 | C35 | 167.4° | 139.1° |
| O16 | C42 | C36 | N6 | 71.7° | 86.2° |
| O16 | C42 | C36 | O15 | 172.4° | 155.2° |
| O16 | C42 | C36 | H35 | 54.9° | 36.8° |
| O16 | C42 | C43 | H39 | 75.0° | 102.2° |
| C21 | C22 | C23 | H21 | 180.0° | 179.7° |
| C22 | C21 | C20 | H19 | 179.5° | 179.9° |
| C21 | C22 | C23 | H22 | 179.9° | 179.7° |
| C23 | C22 | C21 | H20 | 179.9° | 179.7° |
| O6 | C31 | C32 | H28 | 120.3° | 120.0° |
| O6 | C31 | C32 | O7 | 154.3° | 180.0° |
| O6 | C31 | C32 | C33 | 85.9° | 60.0° |
| O6 | C31 | C30 | H27 | 66.8° | 60.0° |
| O6 | C31 | C32 | H29 | 35.5° | 60.0° |
| C31 | C32 | O7 | C33 | 120.0° | 120.0° |
| C31 | C32 | O7 | H29 | 117.9° | 120.0° |
| C31 | C32 | C33 | H29 | 121.4° | 120.0° |
| C31 | C32 | C33 | O8 | 168.5° | 175.0° |
| C32 | C31 | C30 | H27 | 45.0° | 60.0° |
| C31 | C32 | C33 | H30 | 47.8° | 55.0° |
| C31 | C32 | C33 | H31 | 70.8° | 65.0° |
| C32 | C31 | O6 | H48 | 60.3° | 60.1° |
| C31 | C32 | O7 | H49 | 180.0° | 60.0° |
| O7 | C32 | C33 | H29 | 122.9° | 120.0° |
| O7 | C32 | C33 | O8 | 75.7° | 65.0° |
| O7 | C32 | C31 | H28 | 85.4° | 60.0° |
| O7 | C32 | C33 | H30 | 163.5° | 175.0° |
| O7 | C32 | C33 | H31 | 45.0° | 55.0° |
| C43 | C42 | C36 | H38 | 115.2° | 118.2° |
| C42 | C43 | O17 | C35 | 107.7° | 114.7° |
| C42 | C43 | O17 | H39 | 122.2° | 122.6° |
| C42 | C43 | C35 | H39 | 117.8° | 118.7° |
| C43 | C42 | C36 | N6 | 172.1° | 155.6° |
| C43 | C42 | C36 | O15 | 56.1° | 37.0° |
| C42 | C43 | C35 | C34 | 88.3° | 121.5° |
| C42 | C43 | C35 | O15 | 26.6° | 2.0° |
| C42 | C43 | C35 | H34 | 145.9° | 117.5° |
| C43 | C42 | C36 | H35 | 61.4° | 81.4° |
| C43 | C42 | O16 | H45 | 180.0° | 61.4° |
| C42 | C43 | O17 | H46 | 180.0° | 61.5° |
| C42 | C36 | N6 | C37 | 38.1° | 90.6° |
| C36 | C42 | C43 | O17 | 70.5° | 97.8° |
| C36 | C42 | C43 | C35 | 48.8° | 20.9° |
| C42 | C36 | N6 | O15 | 111.1° | 114.1° |
| C42 | C36 | N6 | H35 | 125.4° | 123.0° |
| C42 | C36 | N6 | C41 | 136.4° | 89.4° |
| C42 | C36 | O15 | H35 | 116.2° | 118.5° |
| C42 | C36 | O15 | C35 | 40.8° | 40.0° |
| C36 | C42 | C43 | H39 | 166.4° | 139.6° |
| C36 | C42 | O16 | H45 | 72.9° | 174.2° |
| O13 | P2 | O12 | O14 | 125.4° | 120.0° |
| O13 | P2 | O12 | O11 | 119.4° | 120.0° |
| O13 | P2 | O14 | O11 | 116.8° | 119.9° |
| O13 | P2 | O14 | C34 | 15.6° | 55.1° |
| O13 | P2 | O11 | P1 | 156.7° | 40.1° |
| O13 | P2 | O12 | H44 | 0.0° | 180.0° |
| N7 | C37 | N6 | H36 | 180.0° | 179.8° |
| N7 | C37 | N6 | C36 | 177.4° | 180.0° |
| N7 | C37 | N6 | C41 | 2.1° | 0.0° |
| C37 | N7 | C38 | C41 | 0.1° | 0.0° |
| C37 | N7 | C38 | C39 | 179.9° | 180.0° |
| N6 | C37 | N7 | C38 | 1.4° | 0.0° |
| C37 | N6 | C36 | C41 | 174.5° | 180.0° |
| C37 | N6 | C36 | O15 | 73.0° | 23.6° |
| C37 | N6 | C41 | C38 | 1.9° | 0.0° |
| C37 | N6 | C41 | N10 | 178.5° | 180.0° |
| C37 | N6 | C36 | H35 | 163.5° | 146.4° |
| O17 | C43 | C35 | H39 | 130.9° | 122.7° |
| O17 | C43 | C35 | C34 | 160.5° | 119.9° |
| O17 | C43 | C35 | O15 | 84.7° | 120.7° |
| O17 | C43 | C35 | H34 | 34.6° | 1.2° |
| O17 | C43 | C42 | H38 | 174.3° | 144.0° |
| C43 | C35 | O15 | C36 | 8.6° | 26.5° |
| C43 | C35 | C34 | O15 | 114.2° | 117.8° |
| C43 | C35 | C34 | H34 | 125.7° | 121.2° |
| C43 | C35 | C34 | O14 | 95.0° | 175.7° |
| C43 | C35 | O15 | H34 | 118.4° | 119.6° |
| C43 | C35 | C34 | H32 | 25.3° | 55.7° |
| C43 | C35 | C34 | H33 | 144.7° | 64.3° |
| C35 | C43 | C42 | H38 | 66.4° | 97.4° |
| C35 | C43 | O17 | H46 | 72.3° | 176.2° |
| C32 | C33 | O8 | H30 | 120.7° | 120.0° |
| C32 | C33 | O8 | H31 | 120.7° | 120.0° |
| C32 | C33 | O8 | P1 | 168.3° | 180.0° |
| C33 | C32 | C31 | H28 | 34.4° | 60.0° |
| C32 | C33 | H30 | H31 | 117.8° | 120.0° |
| C33 | C32 | O7 | H49 | 60.0° | 59.9° |
| N7 | C38 | C41 | N6 | 1.1° | 0.0° |
| N7 | C38 | C41 | C39 | 180.0° | 180.0° |
| N7 | C38 | C39 | N8 | 0.4° | 0.0° |
| N7 | C38 | C41 | N10 | 179.3° | 180.0° |
| N7 | C38 | C39 | N9 | 179.7° | 180.0° |
| C38 | N7 | C37 | H36 | 178.6° | 179.8° |
| O12 | P2 | O14 | O11 | 110.9° | 120.0° |
| O12 | P2 | O14 | C34 | 147.9° | 65.0° |
| O12 | P2 | O11 | P1 | 28.9° | 79.9° |
| C33 | O8 | P1 | O11 | 49.5° | 175.0° |
| C33 | O8 | P1 | O10 | 158.9° | 55.0° |
| C33 | O8 | P1 | O9 | 70.1° | 65.0° |
| O8 | C33 | C32 | H29 | 47.1° | 55.0° |
| O8 | C33 | H30 | H31 | 117.8° | 120.0° |
| P2 | O14 | C34 | C35 | 147.7° | 180.0° |
| O14 | P2 | O11 | P1 | 86.3° | 160.1° |
| P2 | O14 | C34 | H32 | 27.5° | 59.9° |
| P2 | O14 | C34 | H33 | 92.0° | 60.0° |
| O14 | P2 | O12 | H44 | 125.4° | 60.0° |
| O11 | P2 | O14 | C34 | 101.2° | 175.0° |
| P2 | O11 | P1 | O8 | 68.3° | 165.1° |
| P2 | O11 | P1 | O10 | 38.6° | 45.1° |
| P2 | O11 | P1 | O9 | 168.2° | 74.9° |
| O11 | P2 | O12 | H44 | 119.4° | 60.0° |
| N6 | C36 | O15 | H35 | 123.7° | 122.8° |
| C36 | N6 | C41 | C38 | 177.2° | 180.0° |
| C36 | N6 | C41 | N10 | 3.1° | 0.0° |
| N6 | C36 | O15 | C35 | 160.9° | 158.7° |
| C36 | N6 | C37 | H36 | 2.6° | 0.2° |
| N6 | C36 | C42 | H38 | 56.9° | 37.3° |
| C41 | N6 | C36 | O15 | 112.5° | 156.4° |
| N6 | C41 | C38 | N10 | 179.7° | 180.0° |
| N6 | C41 | C38 | C39 | 178.9° | 180.0° |
| N6 | C41 | N10 | C40 | 178.6° | 180.0° |
| C41 | N6 | C36 | H35 | 11.0° | 33.6° |
| C41 | N6 | C37 | H36 | 177.9° | 179.8° |
| C36 | O15 | C35 | C34 | 130.7° | 145.9° |
| C36 | O15 | C35 | H34 | 109.8° | 93.1° |
| O15 | C36 | C42 | H38 | 59.1° | 81.3° |
| C41 | C38 | C39 | N8 | 179.6° | 180.0° |
| C41 | C38 | C39 | N9 | 0.3° | 0.0° |
| C38 | C41 | N10 | C40 | 0.9° | 0.0° |
| C38 | C39 | N8 | N9 | 179.9° | 180.0° |
| C39 | C38 | C41 | N10 | 0.7° | 0.0° |
| C38 | C39 | N9 | C40 | 0.9° | 0.0° |
| C38 | C39 | N8 | H41 | 179.9° | 0.0° |
| C38 | C39 | N8 | H42 | 60.2° | 180.0° |
| N8 | C39 | N9 | C40 | 179.0° | 180.0° |
| C39 | N8 | H41 | H42 | 120.0° | 180.0° |
| C35 | C34 | O14 | H32 | 120.3° | 120.1° |
| C35 | C34 | O14 | H33 | 120.3° | 120.0° |
| C34 | C35 | O15 | H34 | 119.5° | 121.0° |
| C35 | C34 | H32 | H33 | 119.2° | 120.0° |
| C34 | C35 | C43 | H39 | 29.6° | 2.8° |
| O14 | C34 | C35 | O15 | 150.9° | 66.4° |
| O14 | C34 | H32 | H33 | 119.2° | 119.9° |
| O14 | C34 | C35 | H34 | 30.7° | 54.6° |
| C41 | N10 | C40 | N9 | 0.2° | 0.0° |
| C41 | N10 | C40 | H37 | 179.7° | 180.0° |
| C39 | N9 | C40 | N10 | 0.7° | 0.1° |
| C39 | N9 | C40 | H37 | 179.4° | 180.0° |
| N9 | C39 | N8 | H41 | 0.0° | 180.0° |
| N9 | C39 | N8 | H42 | 120.0° | 0.0° |
| O15 | C35 | C34 | H32 | 88.9° | 173.5° |
| O15 | C35 | C34 | H33 | 30.6° | 53.5° |
| C35 | O15 | C36 | H35 | 75.4° | 78.4° |
| O15 | C35 | C43 | H39 | 144.4° | 116.6° |
| O11 | P1 | O8 | O10 | 109.4° | 120.0° |
| O11 | P1 | O8 | O9 | 119.6° | 120.1° |
| O11 | P1 | O10 | O9 | 121.4° | 120.1° |
| O11 | P1 | O9 | H50 | 119.8° | 60.0° |
| O8 | P1 | O10 | O9 | 126.7° | 120.0° |
| P1 | O8 | C33 | H30 | 47.6° | 60.0° |
| P1 | O8 | C33 | H31 | 71.0° | 60.0° |
| O8 | P1 | O9 | H50 | 120.5° | 60.0° |
| N10 | C40 | N9 | H37 | 180.0° | 180.0° |
| O10 | P1 | O9 | H50 | 0.0° | 180.0° |
| H1 | C14 | C13 | H10 | 0.6° | 0.4° |
| H1 | C14 | C15 | H17 | 0.6° | 0.0° |
| H3 | C11 | C10 | H8 | 54.8° | 121.9° |
| H3 | C11 | C10 | H9 | 179.2° | 0.4° |
| H4 | C8 | H5 | H6 | 120.0° | 120.0° |
| H7 | C9 | C10 | H8 | 72.8° | 24.3° |
| H7 | C9 | C10 | H9 | 51.6° | 98.0° |
| H7 | C9 | O1 | H43 | 145.8° | 61.3° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H18 | C19 | C20 | H19 | 0.8° | 0.0° |
| H19 | C20 | C21 | H20 | 0.6° | 0.0° |
| H20 | C21 | C22 | H21 | 0.1° | 0.0° |
| H21 | C22 | C23 | H22 | 0.1° | 0.1° |
| H25 | C29 | C30 | H27 | 50.6° | 180.0° |
| H26 | C29 | C30 | H27 | 168.7° | 60.0° |
| H27 | C30 | C31 | H28 | 169.5° | 180.0° |
| H27 | C30 | O5 | H47 | 59.3° | 180.0° |
| H28 | C31 | C32 | H29 | 155.8° | 180.0° |
| H28 | C31 | O6 | H48 | 58.1° | 180.0° |
| H29 | C32 | C33 | H30 | 73.6° | 65.0° |
| H29 | C32 | C33 | H31 | 167.9° | 175.0° |
| H29 | C32 | O7 | H49 | 62.1° | 180.0° |
| H32 | C34 | C35 | H34 | 151.0° | 65.5° |
| H33 | C34 | C35 | H34 | 89.6° | 174.5° |
| H34 | C35 | C43 | H39 | 96.3° | 123.9° |
| H35 | C36 | C42 | H38 | 176.6° | 160.3° |
| H38 | C42 | C43 | H39 | 51.1° | 21.3° |
| H38 | C42 | O16 | H45 | 54.8° | 62.2° |
| H39 | C43 | O17 | H46 | 57.7° | 61.2° |
